CID 80694493

1855907-54-8

Structural Information

Molecular Formula

C₆H₈ClFN₂

SMILES

C1=C(C=NN1CCF)CCl

InChI

InChI=1S/C6H8ClFN2/c7-3-6-4-9-10(5-6)2-1-8/h4-5H,1-3H2

InChIKey

GLOVYBGOPJXRLO-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-1-(2-fluoroethyl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 162.03601 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.04329	128.7
[M+Na]+	185.02523	138.9
[M-H]-	161.02873	128.1
[M+NH4]+	180.06983	149.5
[M+K]+	200.99917	135.6
[M+H-H2O]+	145.03327	121.4
[M+HCOO]-	207.03421	146.5
[M+CH3COO]-	221.04986	175.6
[M+Na-2H]-	183.01068	134.2
[M]+	162.03546	130.1
[M]-	162.03656	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe